Known targets — ChEMBL curated mechanism
BTKCACNA1CCACNA1DCACNA1FCACNA1SCACNA2D1CACNA2D2DRD2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQHRH1HTR2AP2RY12
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | CASR | P41180 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | LARS1 | Q9P2J5 | 1/20 | 0.43 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.41 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.41 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL27561989 | 0.86 | SMN1; SMN2 (0.57) | TSHRSMN1; SMN2CASRKMT2AMEN1 | |
| Alanine SCHEMBL10626231 | 0.84 | TSHR (0.64) | TSHRSMN1; SMN2CASRLARS1SLC1A3 | |
| Alanine SCHEMBL10627958 | 0.84 | TSHR (0.64) | TSHRSMN1; SMN2CASRLARS1SLC1A3 | |
| SCHEMBL5405829 | 0.84 | TSHR (0.50) | TSHRSMN1; SMN2CASRKMT2AMEN1 | |
| SCHEMBL5407602 | 0.84 | TSHR (0.50) | TSHRSMN1; SMN2CASRKMT2AMEN1 | |
| Isopropylamine SCHEMBL25405525 | 0.82 | TSHR (0.73) | TSHRSMN1; SMN2CASRLARS1SLC1A3 | |
| SCHEMBL5397735 | 0.81 | CA2 (0.45) | KMT2AMEN1CA12CA1CA2 | |
| SCHEMBL31491210 | 0.81 | ALDH1A1 (0.47) | TSHRSMN1; SMN2CASRKMT2AMEN1 | |
| SCHEMBL5397732 | 0.81 | CA2 (0.45) | KMT2AMEN1CA12CA1CA2 | |
| Methyl Carbamate SCHEMBL31223154 | 0.80 | TSHR (0.64) | TSHRSMN1; SMN2KMT2AMEN1CA12 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7205433-B2 | Crystal of amino acid ester salt and process for producing the same | AJINOMOTO CO., INC. (JP) | 2007-04-17 | — | — | US | disclosed |
| US-20050197396-A1 | Crystal of amino acid ester salt and process for producing the same | AJINOMOTO CO. INC (JP) | 2005-09-08 | — | — | US | disclosed |
| EP-1541546-A1 | CRYSTAL OF AMINO ACID ESTER SALT AND PROCESS FOR PRODUCING THE SAME | Ajinomoto Co., Inc. (JP) | 2005-06-15 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050197396-A1 | Crystal of amino acid ester salt and process for producing the same | SLC43A1, AAAS, AARS1 | TSHR 3372/4885SMN1; SMN2 2957/4885CASR 1615/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.